5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide

C16H26N2O — CID 82011319

IUPAC5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
SMILESCc1ccc(C(C)NC(=O)CCC(C)CN)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11-5-7-15(13(3)9-11)14(4)18-16(19)8-6-12(2)10-17/h5,7,9,12,14H,6,8,10,17H2,1-4H3,(H,18,19)
InChIKeyVOAINEWNAQZOFI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.86
Rot. Bonds6

About 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide

5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide (PubChem CID 82011319) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
PubChem CID82011319
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
SMILESCc1ccc(C(C)NC(=O)CCC(C)CN)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11-5-7-15(13(3)9-11)14(4)18-16(19)8-6-12(2)10-17/h5,7,9,12,14H,6,8,10,17H2,1-4H3,(H,18,19)
InChIKeyVOAINEWNAQZOFI-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4,4-dimethylhexanamide
CID 65290863
5-amino-4-methyl-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 82010904
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
2-[2-[1-(2,4-dimethylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113222453

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide (CID 82011319) is 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide is Cc1ccc(C(C)NC(=O)CCC(C)CN)c(C)c1.
What is the InChIKey of 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide?
The InChIKey is VOAINEWNAQZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-5-7-15(13(3)9-11)14(4)18-16(19)8-6-12(2)10-17/h5,7,9,12,14H,6,8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide?
5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 82011319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).